methyl 2-[(5-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[5-carbamoyl-6-(methylthio)-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[[5-carbamoyl-4-keto-6-(methylthio)-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C(=C(N2)SC)C(=O)N)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C(=C(N2)SC)C(=O)N)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4S2/c1-25-10(22)8-27-17-20-14-12(11(13(18)23)15(19-14)26-2)16(24)21(17)9-6-4-3-5-7-9/h3-7,19H,8H2,1-2H3,(H2,18,23)